Geometry & MOs

Info

ID:	368593
PubChem CID:	127329602
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	3.21
IP(EA), eV:	-8.61(2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylazepan-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)CC2CCOC2

DOS

IR

Vibrations